(4-cyclohexylpiperazin-1-yl)-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]methanone

C22H29N3OS — CID 53037663

IUPAC(4-cyclohexylpiperazin-1-yl)-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]methanone
SMILESCCc1nc(-c2ccc(C(=O)N3CCN(C4CCCCC4)CC3)cc2)cs1
InChIInChI=1S/C22H29N3OS/c1-2-21-23-20(16-27-21)17-8-10-18(11-9-17)22(26)25-14-12-24(13-15-25)19-6-4-3-5-7-19/h8-11,16,19H,2-7,12-15H2,1H3
InChIKeyANFQPBIQGCXKBJ-UHFFFAOYSA-N
MW383.56 g/mol
LogP4.46
Rot. Bonds4

About (4-cyclohexylpiperazin-1-yl)-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]methanone

(4-cyclohexylpiperazin-1-yl)-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]methanone (PubChem CID 53037663) has the molecular formula C22H29N3OS and a molecular weight of 383.56 g/mol. Its IUPAC name is (4-cyclohexylpiperazin-1-yl)-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]methanone.

Molecular Properties

Compound Name(4-cyclohexylpiperazin-1-yl)-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]methanone
PubChem CID53037663
Molecular FormulaC22H29N3OS
Molecular Weight383.56 g/mol
Exact Mass383.20
IUPAC Name(4-cyclohexylpiperazin-1-yl)-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]methanone
SMILESCCc1nc(-c2ccc(C(=O)N3CCN(C4CCCCC4)CC3)cc2)cs1
InChIInChI=1S/C22H29N3OS/c1-2-21-23-20(16-27-21)17-8-10-18(11-9-17)22(26)25-14-12-24(13-15-25)19-6-4-3-5-7-19/h8-11,16,19H,2-7,12-15H2,1H3
InChIKeyANFQPBIQGCXKBJ-UHFFFAOYSA-N
XLogP4.46
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.56
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (3R)-1-[4-(2-ethyl-1,3-thiazol-4-yl)benzoyl]piperidine-3-carboxylate
CID 95056808
ethyl (3S)-1-[4-(2-ethyl-1,3-thiazol-4-yl)benzoyl]piperidine-3-carboxylate
CID 95056807
N-cyclopentyl-4-(2-ethyl-1,3-thiazol-4-yl)benzamide
CID 53037643
6-[4-(4-cyclopentylpiperazine-1-carbonyl)phenyl]-2-methylpyridazin-3-one
CID 44539765
[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone
CID 53037672
(4-cyclobutyl-1,4-diazepan-1-yl)-(4-ethylphenyl)methanone
CID 131702217
(4-cyclohexyl-1,4-diazepan-1-yl)-(4-pyrazin-2-ylphenyl)methanone
CID 119073848
(4-cyclohexylpiperazin-1-yl)-(4-propoxyphenyl)methanone
CID 17249054
[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-pyrrolidin-1-ylmethanone
CID 53037742
[4-(bromomethyl)phenyl]-(4-cyclopentylpiperazin-1-yl)methanone
CID 102851595
4-[2-(cyclopentylmethyl)-1,3-thiazol-4-yl]benzoic acid
CID 58256814
(4-cyclohexylpiperazin-1-yl)-(6-ethyl-8-methylbenzo[b][1,4]benzothiazepin-3-yl)methanone
CID 20851331

Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylpiperazin-1-yl)-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]methanone?
The IUPAC name of (4-cyclohexylpiperazin-1-yl)-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]methanone (CID 53037663) is (4-cyclohexylpiperazin-1-yl)-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]methanone.
What is the SMILES notation for (4-cyclohexylpiperazin-1-yl)-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]methanone?
The canonical SMILES for (4-cyclohexylpiperazin-1-yl)-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]methanone is CCc1nc(-c2ccc(C(=O)N3CCN(C4CCCCC4)CC3)cc2)cs1.
What is the InChIKey of (4-cyclohexylpiperazin-1-yl)-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]methanone?
The InChIKey is ANFQPBIQGCXKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3OS/c1-2-21-23-20(16-27-21)17-8-10-18(11-9-17)22(26)25-14-12-24(13-15-25)19-6-4-3-5-7-19/h8-11,16,19H,2-7,12-15H2,1H3.
What are the key properties of (4-cyclohexylpiperazin-1-yl)-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]methanone?
(4-cyclohexylpiperazin-1-yl)-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]methanone has a molecular weight of 383.56 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylpiperazin-1-yl)-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]methanone is sourced from PubChem (CID 53037663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).